5-bromo-3-methyl-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-2-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;bis(5-[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]-3-methyl-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-2-one);3-(2-methylpropyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

C78H87BrN22O5 — CID 160613963

IUPAC5-bromo-3-methyl-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-2-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;bis(5-[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]-3-methyl-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-2-one);3-(2-methylpropyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESCC(C)CC1(C)C(=O)Nc2ncc(Br)cc21.CC(C)CC1C(=O)Nc2ncccc21.CCn1c(-c2cnc(C)nc2)nc2c(-c3cnc4c(c3)C(C)(CC(C)C)C(=O)N4)ncnc21.CCn1c(-c2cnc(C)nc2)nc2c(-c3cnc4c(c3)C(C)(CC(C)C)C(=O)N4)ncnc21.O=C1Cc2cccnc2N1
InChIInChI=1S/2C24H26N8O.C12H15BrN2O.C11H14N2O.C7H6N2O/c2*1-6-32-21(16-10-25-14(4)26-11-16)30-19-18(28-12-29-22(19)32)15-7-17-20(27-9-15)31-23(33)24(17,5)8-13(2)3;1-7(2)5-12(3)9-4-8(13)6-14-10(9)15-11(12)16;1-7(2)6-9-8-4-3-5-12-10(8)13-11(9)14;10-6-4-5-2-1-3-8-7(5)9-6/h2*7,9-13H,6,8H2,1-5H3,(H,27,31,33);4,6-7H,5H2,1-3H3,(H,14,15,16);3-5,7,9H,6H2,1-2H3,(H,12,13,14);1-3H,4H2,(H,8,9,10)
InChIKeyRFVOOXFOQBHVMN-UHFFFAOYSA-N
MW1492.61 g/mol
LogP13.70
Rot. Bonds14

About 5-bromo-3-methyl-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-2-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;bis(5-[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]-3-methyl-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-2-one);3-(2-methylpropyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

5-bromo-3-methyl-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-2-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;bis(5-[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]-3-methyl-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-2-one);3-(2-methylpropyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (PubChem CID 160613963) has the molecular formula C78H87BrN22O5 and a molecular weight of 1492.61 g/mol. Its IUPAC name is 5-bromo-3-methyl-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-2-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;bis(5-[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]-3-methyl-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-2-one);3-(2-methylpropyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-3-methyl-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-2-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;bis(5-[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]-3-methyl-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-2-one);3-(2-methylpropyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
PubChem CID160613963
Molecular FormulaC78H87BrN22O5
Molecular Weight1492.61 g/mol
Exact Mass1490.64
IUPAC Name5-bromo-3-methyl-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-2-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;bis(5-[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]-3-methyl-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-2-one);3-(2-methylpropyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESCC(C)CC1(C)C(=O)Nc2ncc(Br)cc21.CC(C)CC1C(=O)Nc2ncccc21.CCn1c(-c2cnc(C)nc2)nc2c(-c3cnc4c(c3)C(C)(CC(C)C)C(=O)N4)ncnc21.CCn1c(-c2cnc(C)nc2)nc2c(-c3cnc4c(c3)C(C)(CC(C)C)C(=O)N4)ncnc21.O=C1Cc2cccnc2N1
InChIInChI=1S/2C24H26N8O.C12H15BrN2O.C11H14N2O.C7H6N2O/c2*1-6-32-21(16-10-25-14(4)26-11-16)30-19-18(28-12-29-22(19)32)15-7-17-20(27-9-15)31-23(33)24(17,5)8-13(2)3;1-7(2)5-12(3)9-4-8(13)6-14-10(9)15-11(12)16;1-7(2)6-9-8-4-3-5-12-10(8)13-11(9)14;10-6-4-5-2-1-3-8-7(5)9-6/h2*7,9-13H,6,8H2,1-5H3,(H,27,31,33);4,6-7H,5H2,1-3H3,(H,14,15,16);3-5,7,9H,6H2,1-2H3,(H,12,13,14);1-3H,4H2,(H,8,9,10)
InChIKeyRFVOOXFOQBHVMN-UHFFFAOYSA-N
XLogP13.70
TPSA348.71 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds14
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001492.61
LogP ≤ 513.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Analyze 5-bromo-3-methyl-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-2-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;bis(5-[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]-3-methyl-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-2-one);3-(2-methylpropyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one with MolForge

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Related Compounds

(R or S)-5-(9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl)-3-isobutyl-3-methyl-1,3-dihydro-2H-pyrrolo[2,3-b]pyridin-2-one
CID 131964591
(R or S)-3-isobutyl-3-methyl-5-(9-methyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl)-1,3-dihydro-2H-pyrrolo[2,3-b]pyridin-2-one
CID 131964666
4-bromo-2-(8-butyl-2-methylimidazo[1,2-a]pyrazin-6-yl)-5-(5-fluoro-2-pyridinyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 140885064
4-(3,3-dimethylazetidin-1-yl)-5-(4-fluorophenyl)-5-methyl-2-[8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one;ethane;5-(4-fluorophenyl)-5-methyl-2-[8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-6-one;molecular hydrogen
CID 144972737
2-(4,4-difluoropiperidin-1-yl)-5-propan-2-ylpyridine;N,4-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-amine;5-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyridine;tris(1-methyl-3-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one);tris(1-methyl-4-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one)
CID 158000167
2-[2-(ethylamino)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(methylamino)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1S)-1-[4-(1-methylimidazol-2-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-(propan-2-ylamino)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 158839078
(5S)-4-deuterio-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S)-1-(1,1-dideuterioethyl)-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;methane;(4S)-1-methyl-4-propan-2-yl-3-[2-[[1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]cyclopropyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(5R)-5-propan-2-yl-1-[2-[[(1S)-1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one
CID 159570678
3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;3,5-difluoro-1-methyl-4-propan-2-ylpiperidine;1,1-difluoro-2-propan-2-ylcyclohexane;3,5-difluoro-4-propan-2-ylpiperidine;1,3-dimethyl-7-propan-2-yl-5,6,7,8-tetrahydroindolizine;3-fluoro-1-methyl-4-propan-2-ylpiperidine;1-fluoro-2-propan-2-ylcyclohexane;1-methyl-7-propan-2-yl-2,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-3-one;1-methyl-4-propan-2-ylpiperidin-2-one;3-methyl-7-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-propan-2-yl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one;7-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-propan-2-yl-5,6,7,8-tetrahydroindolizine
CID 160065242
(1S,5R)-N-[2-(1-cyclopropyl-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(1,8-dimethylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-[8-methyl-1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 160071738
(1S,5R)-N-[2-(3-cyclopropyl-7aH-inden-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(1-cyclopropyl-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-[8-methyl-1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 160483496
2-[2-(difluoromethyl)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-ethyl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;7-methyl-2-(2-methyl-3-pyridinyl)-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 160615120
4-[4-[4-[3-(tert-butylamino)propyl]-6-(5-fluoro-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-[4-[1-[2-(dimethylamino)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 160863597

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-2-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;bis(5-[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]-3-methyl-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-2-one);3-(2-methylpropyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 5-bromo-3-methyl-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-2-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;bis(5-[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]-3-methyl-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-2-one);3-(2-methylpropyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (CID 160613963) is 5-bromo-3-methyl-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-2-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;bis(5-[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]-3-methyl-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-2-one);3-(2-methylpropyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 5-bromo-3-methyl-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-2-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;bis(5-[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]-3-methyl-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-2-one);3-(2-methylpropyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 5-bromo-3-methyl-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-2-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;bis(5-[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]-3-methyl-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-2-one);3-(2-methylpropyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is CC(C)CC1(C)C(=O)Nc2ncc(Br)cc21.CC(C)CC1C(=O)Nc2ncccc21.CCn1c(-c2cnc(C)nc2)nc2c(-c3cnc4c(c3)C(C)(CC(C)C)C(=O)N4)ncnc21.CCn1c(-c2cnc(C)nc2)nc2c(-c3cnc4c(c3)C(C)(CC(C)C)C(=O)N4)ncnc21.O=C1Cc2cccnc2N1.
What is the InChIKey of 5-bromo-3-methyl-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-2-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;bis(5-[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]-3-methyl-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-2-one);3-(2-methylpropyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The InChIKey is RFVOOXFOQBHVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H26N8O.C12H15BrN2O.C11H14N2O.C7H6N2O/c2*1-6-32-21(16-10-25-14(4)26-11-16)30-19-18(28-12-29-22(19)32)15-7-17-20(27-9-15)31-23(33)24(17,5)8-13(2)3;1-7(2)5-12(3)9-4-8(13)6-14-10(9)15-11(12)16;1-7(2)6-9-8-4-3-5-12-10(8)13-11(9)14;10-6-4-5-2-1-3-8-7(5)9-6/h2*7,9-13H,6,8H2,1-5H3,(H,27,31,33);4,6-7H,5H2,1-3H3,(H,14,15,16);3-5,7,9H,6H2,1-2H3,(H,12,13,14);1-3H,4H2,(H,8,9,10).
What are the key properties of 5-bromo-3-methyl-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-2-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;bis(5-[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]-3-methyl-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-2-one);3-(2-methylpropyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
5-bromo-3-methyl-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-2-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;bis(5-[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]-3-methyl-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-2-one);3-(2-methylpropyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one has a molecular weight of 1492.61 g/mol, XLogP of 13.70, 14 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-2-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;bis(5-[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]-3-methyl-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-2-one);3-(2-methylpropyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 160613963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).